N-(2,3-dimethylphenyl)-2-[4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperazin-1-yl]acetamide

C22H31N5O2 — CID 133424314

IUPACN-(2,3-dimethylphenyl)-2-[4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3nccn(CC(C)C)c3=O)CC2)c1C
InChIInChI=1S/C22H31N5O2/c1-16(2)14-27-9-8-23-21(22(27)29)26-12-10-25(11-13-26)15-20(28)24-19-7-5-6-17(3)18(19)4/h5-9,16H,10-15H2,1-4H3,(H,24,28)
InChIKeyYZESQCCZLGPATD-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.28
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-[4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperazin-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperazin-1-yl]acetamide (PubChem CID 133424314) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperazin-1-yl]acetamide
PubChem CID133424314
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3nccn(CC(C)C)c3=O)CC2)c1C
InChIInChI=1S/C22H31N5O2/c1-16(2)14-27-9-8-23-21(22(27)29)26-12-10-25(11-13-26)15-20(28)24-19-7-5-6-17(3)18(19)4/h5-9,16H,10-15H2,1-4H3,(H,24,28)
InChIKeyYZESQCCZLGPATD-UHFFFAOYSA-N
XLogP2.28
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2-methylphenyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 133424216
N-(2,3-dimethylphenyl)-2-[4-[2-[[(2R)-6-methylheptan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8694764
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
3-[4-(2-chloroethyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63392127
2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 35919099
2-[4-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 35919090
(2S)-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide
CID 8694603
(2S)-N-cyclopropyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8711915
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(2,3-dimethylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 17407836
N-(2,3-dimethylphenyl)-2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetamide
CID 34983496
4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37191936

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperazin-1-yl]acetamide (CID 133424314) is N-(2,3-dimethylphenyl)-2-[4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperazin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CCN(c3nccn(CC(C)C)c3=O)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperazin-1-yl]acetamide?
The InChIKey is YZESQCCZLGPATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-16(2)14-27-9-8-23-21(22(27)29)26-12-10-25(11-13-26)15-20(28)24-19-7-5-6-17(3)18(19)4/h5-9,16H,10-15H2,1-4H3,(H,24,28).
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperazin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperazin-1-yl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 133424314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).